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MMsINC code: MMs02202919

Type: Ionized
Formula: C₁₅H₁₁N₂O₅-

SMILES:

Oc1cc(NC(=O)C(=O)Nc2ccc(cc2)C(=O)[O-])ccc1

InChI:

InChI=1/C15H12N2O5/c18-12-3-1-2-11(8-12)17-14(20)13(19)16-10-6-4-9(5-7-10)15(21)22/h1-8,18H,(H,16,19)(H,17,20)(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7856 kcal/mol

Physical Properties
Molecular Weight: 299.262 g/mol	logS: -3.4513	SlogP: 0.3329	Reactive groups: 0

Topological Properties
Globularity: 8.25943e-07	Sterimol/B1: 2.09754	Sterimol/B2: 2.10491	Sterimol/B3: 2.6456
Sterimol/B4: 5.60566	Sterimol/L: 18.3633

Surface and Volume Properties
Accessible surface: 525.765	Positive charged surface: 251.945	Negative charged surface: 273.82	Volume: 265.125
Hydrophobic surface: 299.9	Hydrophilic surface: 225.865

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 2	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02202918
NANOSIN-ZINC03177600